REMARK  Name = BDB056903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.531  -0.784   0.652  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.846  -0.255   0.807  0.00  0.00    +0.065 A 
ATOM      3  C   LIG    1        3.931  -1.137   0.749  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        5.325  -0.749   1.003  0.00  0.00    +0.196 A 
ATOM      5  C   LIG    1        5.910   0.425   0.355  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        5.302   1.671   0.335  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        4.027   1.996   0.999  0.00  0.00    +0.257 A 
ATOM      8  O   LIG    1        3.853   3.150   1.394  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1        5.968   2.738  -0.301  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        7.212   2.556  -0.909  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        7.819   1.307  -0.875  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        7.174   0.247  -0.240  0.00  0.00    +0.012 A 
ATOM     13  O   LIG    1        6.049  -1.491   1.663  0.00  0.00    -0.287 OA
ATOM     14  C   LIG    1        3.729  -2.510   0.519  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        2.453  -3.021   0.335  0.00  0.00    +0.002 A 
ATOM     16  N   LIG    1        2.986   1.118   1.093  0.00  0.00    -0.321 N 
ATOM     17  H   LIG    1        2.134   1.622   1.349  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1        1.362  -2.163   0.404  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  21
ATOM     19  C   LIG    1       -1.762   0.544   0.648  0.00  0.00    +0.242 A 
ATOM     20  O   LIG    1       -0.875  -0.507   0.485  0.00  0.00    -0.416 OA
ATOM     21  C   LIG    1        0.341   0.067   0.738  0.00  0.00    +0.251 A 
ATOM     22  N   LIG    1        0.235   1.343   1.034  0.00  0.00    -0.107 NA
ATOM     23  N   LIG    1       -1.105   1.648   0.975  0.00  0.00    -0.108 NA
BRANCH  19  25
ATOM     24  C   LIG    1       -3.752  -0.733   0.163  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1       -3.168   0.431   0.484  0.00  0.00    +0.070 C 
BRANCH  24  27
ATOM     26  C   LIG    1       -5.971  -0.079  -0.892  0.00  0.00    +0.127 A 
ATOM     27  C   LIG    1       -5.209  -0.873  -0.003  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -5.845  -1.873   0.746  0.00  0.00    +0.050 A 
ATOM     29  C   LIG    1       -7.215  -2.064   0.628  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1       -7.813  -3.019   1.352  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -7.974  -1.282  -0.230  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -7.353  -0.290  -0.993  0.00  0.00    +0.049 A 
BRANCH  26  34
ATOM     33  C   LIG    1       -6.017   1.673  -2.520  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -5.279   0.854  -1.622  0.00  0.00    -0.495 OA
ENDBRANCH  26  34
ENDBRANCH  24  27
ENDBRANCH  19  25
ENDBRANCH   1  21
TORSDOF 4